Chlorine in PDB 2gdo: 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors

All present enzymatic activity of 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors:
2.7.1.37;

The structure of 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors, PDB code: 2gdo was solved by V.Le, J.Dove, E.Fang, D.E.Bussiere, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.704, 65.337, 57.517, 90.00, 93.95, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors (pdb code 2gdo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors, PDB code: 2gdo:

Chlorine binding site 1 out of 1 in the 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl298 b:17.2 occ:1.00 CL A:12C298 0.0 17.2 1.0 C3 A:12C298 1.7 17.2 1.0 C2 A:12C298 2.7 17.2 1.0 C4 A:12C298 2.7 17.2 1.0 CA A:ASP148 3.2 51.3 1.0 CG A:ASP148 3.3 35.2 1.0 CB A:ASP148 3.4 35.2 1.0 OD1 A:ASP148 3.5 35.2 1.0 N A:ASP148 3.5 51.3 1.0 OD2 A:ASP148 3.8 35.2 1.0 CD A:LYS38 4.0 19.6 1.0 C5 A:12C298 4.0 17.2 1.0 C1 A:12C298 4.0 17.2 1.0 CD1 A:LEU84 4.2 24.4 1.0 NZ A:LYS38 4.3 19.6 1.0 O A:HOH357 4.4 26.1 1.0 CG2 A:VAL23 4.4 50.2 1.0 CE A:LYS38 4.5 19.6 1.0 C6 A:12C298 4.5 17.2 1.0 OE2 A:GLU55 4.5 29.1 1.0 C A:SER147 4.6 27.3 1.0 C A:ASP148 4.6 51.3 1.0 CG A:LYS38 4.7 19.6 1.0 CB A:LYS38 4.8 19.6 1.0 N A:PHE149 4.9 14.9 1.0

Z.J.Ni, P.Barsanti, N.Brammeier, A.Diebes, D.J.Poon, S.Ng, S.Pecchi, K.Pfister, P.A.Renhowe, S.Ramurthy, A.S.Wagman, D.E.Bussiere, V.Le, Y.Zhou, J.M.Jansen, S.Ma, T.G.Gesner. 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent Chk-1 Inhibitors. Bioorg.Med.Chem.Lett. V. 16 3121 2006.
ISSN: ISSN 0960-894X
PubMed: 16603354
DOI: 10.1016/J.BMCL.2006.03.059